1,3-benzodioxol-5-ylmethyl-ethyl-[2-[(2-methyl-5-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-ethyl-[2-[(2-methyl-5-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-ethyl-[2-(2-methyl-5-morpholinosulfonyl-anilino)-2-oxo-ethyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-ethyl-[2-[2-methyl-5-(4-morpholinylsulfonyl)anilino]-2-oxoethyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-ethyl-[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl]azanium Traditional Name: ethyl-[2-keto-2-(2-methyl-5-morpholinosulfonyl-anilino)ethyl]-piperonyl-ammonium Formula: C23H30N3O6S+ MolecularWeight: 476.5658

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC2=C(C=C1)OCO2)CC(=O)NC3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)C

Isomeric SMILES

CC[NH+](CC1=CC2=C(C=C1)OCO2)CC(=O)NC3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)C

InChI

InChI=1S/C23H29N3O6S/c1-3-25(14-18-5-7-21-22(12-18)32-16-31-21)15-23(27)24-20-13-19(6-4-17(20)2)33(28,29)26-8-10-30-11-9-26/h4-7,12-13H,3,8-11,14-16H2,1-2H3,(H,24,27)/p+1